Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, dodecyl ester

InChI

InChI=1S/C20H28F4O2/c1-2-3-4-5-6-7-8-9-10-11-15-26-19(25)16-13-12-14-17(18(16)21)20(22,23)24/h12-14H,2-11,15H2,1H3

InChI Key

TWQHACHBEVSYLK-UHFFFAOYSA-N

Formula

C20H28F4O2

SMILES

CCCCCCCCCCCCOC(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

376.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-799.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1280.53	kJ/mol	Joback Calculated Property
ΔfusH°	48.51	kJ/mol	Joback Calculated Property
ΔvapH°	68.31	kJ/mol	Joback Calculated Property
log10WS	-7.75		Crippen Calculated Property
logPoct/wat	6.922		Crippen Calculated Property
McVol	283.420	ml/mol	McGowan Calculated Property
Pc	1147.54	kPa	Joback Calculated Property
Inp	[2166.00; 2166.00]
Inp	2166.00		NIST
Inp	2166.00		NIST
Tboil	763.78	K	Joback Calculated Property
Tc	943.85	K	Joback Calculated Property
Tfus	443.56	K	Joback Calculated Property
Vc	1.133	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[857.75; 943.03]	J/mol×K	[763.78; 943.85]
Cp,gas	857.75	J/mol×K	763.78	Joback Calculated Property
Cp,gas	874.15	J/mol×K	793.79	Joback Calculated Property
Cp,gas	889.63	J/mol×K	823.80	Joback Calculated Property
Cp,gas	904.22	J/mol×K	853.81	Joback Calculated Property
Cp,gas	917.96	J/mol×K	883.82	Joback Calculated Property
Cp,gas	930.88	J/mol×K	913.84	Joback Calculated Property
Cp,gas	943.03	J/mol×K	943.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, dodecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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